In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 20 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.85 | -5.46 | -11.97 | 2 | 5 | 0 | 75 | 288.328 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.85 | -4.88 | -41.85 | 1 | 5 | -1 | 77 | 287.32 | 3 | ↓ |